In the pharmaceutical discovery process, understanding a drug’s residence time—the duration a molecule remains bound to its ...

Molecular dynamics simulations have emerged as an indispensable tool in modern biomedical research, particularly in the study of protein kinases. This computational approach permits detailed ...

Molecular dynamics (MD) simulations offer a powerful computational approach to decipher the complex and transient nature of peptide-protein interactions. By calculating the time-dependent behaviour of ...

A newly developed generative AI model is helping researchers explore protein dynamics with increased speed. The deep learning system, called BioEmu, predicts the full range of conformations a protein ...

A team of researchers led by Professor Sebastian Deindl at Uppsala University has developed a pioneering method that vastly improves the ability to observe and analyse complex biological processes at ...

An international team led by Einstein Professor Cecilia Clementi in the Department of Physics at Freie Universität Berlin introduces a breakthrough in protein simulation. The study, published in the ...

UNC researchers discovered how a key step in cell signaling works by showing exactly how G proteins detach from receptors that many common medicines target. Subscribe to our newsletter for the latest ...

Dynamin assembles into a ring around the neck of a forming vesicle and utilizes GTP hydrolysis energy to constrict and sever the membrane. The simulation reveals that the dynamin ring expands (loosens ...

The question has been lingering for years in medical science circles. Since 2020, when the artificial intelligence (AI) model AlphaFold made it possible to predict protein structures, would the ...

Researchers at ETH Zurich recently explained the role of a molecular complex that orchestrates the production of proteins in our cells. They now show that this complex also controls the processing of ...

Molecular glues are small, monovalent molecules that reshape an E3 ubiquitin ligase (E3) surface to promote a new protein-protein interaction with a target, triggering ubiquitination and removal by ...